6-morpholin-4-ylpyrazine-2-carbothioamide

C9H12N4OS — CID 1282527

IUPAC6-morpholin-4-ylpyrazine-2-carbothioamide
SMILESNC(=S)c1cncc(N2CCOCC2)n1
InChIInChI=1S/C9H12N4OS/c10-9(15)7-5-11-6-8(12-7)13-1-3-14-4-2-13/h5-6H,1-4H2,(H2,10,15)
InChIKeyALUZCZCNDSXDQS-UHFFFAOYSA-N
MW224.29 g/mol
LogP-0.05
Rot. Bonds2

About 6-morpholin-4-ylpyrazine-2-carbothioamide

6-morpholin-4-ylpyrazine-2-carbothioamide (PubChem CID 1282527) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 6-morpholin-4-ylpyrazine-2-carbothioamide.

Molecular Properties

Compound Name6-morpholin-4-ylpyrazine-2-carbothioamide
PubChem CID1282527
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name6-morpholin-4-ylpyrazine-2-carbothioamide
SMILESNC(=S)c1cncc(N2CCOCC2)n1
InChIInChI=1S/C9H12N4OS/c10-9(15)7-5-11-6-8(12-7)13-1-3-14-4-2-13/h5-6H,1-4H2,(H2,10,15)
InChIKeyALUZCZCNDSXDQS-UHFFFAOYSA-N
XLogP-0.05
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylpyrazine-2-carbothioamide?
The IUPAC name of 6-morpholin-4-ylpyrazine-2-carbothioamide (CID 1282527) is 6-morpholin-4-ylpyrazine-2-carbothioamide.
What is the SMILES notation for 6-morpholin-4-ylpyrazine-2-carbothioamide?
The canonical SMILES for 6-morpholin-4-ylpyrazine-2-carbothioamide is NC(=S)c1cncc(N2CCOCC2)n1.
What is the InChIKey of 6-morpholin-4-ylpyrazine-2-carbothioamide?
The InChIKey is ALUZCZCNDSXDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c10-9(15)7-5-11-6-8(12-7)13-1-3-14-4-2-13/h5-6H,1-4H2,(H2,10,15).
What are the key properties of 6-morpholin-4-ylpyrazine-2-carbothioamide?
6-morpholin-4-ylpyrazine-2-carbothioamide has a molecular weight of 224.29 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylpyrazine-2-carbothioamide is sourced from PubChem (CID 1282527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).